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Ligand · P1B

P1B · (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione

P1B, (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione (C19 H20 N2 O3 S, 356.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å…

Component
P1B
Formula
C19 H20 N2 O3 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

P1B in 6 structures; the first of them:

  • 2XKW · Ligand binding domain of human ppar-gamma in complex with the agonist pioglitazone · P1B A1478 · binds ILE281, PHE282, GLY284, CYS285, GLN286, SER289, HIS323, ILE326 and 11 more
  • 4A79 · Crystal structure of human monoamine oxidase B (MAO B) in complex with pioglitazone · P1B A601 · binds TYR60, PRO102, PHE103, PRO104, TRP119, LEU164, PHE168, LEU171 and 10 more
  • 7M26 · Human carbonic anhydrase II in complex with pioglitazone · P1B A302 · binds GLN92, HIS94, HIS96, GLU106, HIS119, PHE131, GLY132, VAL135 and 7 more
  • 2XKW · Ligand binding domain of human ppar-gamma in complex with the agonist pioglitazone · P1B A1478 · binds ILE281, PHE282, GLY284, CYS285, GLN286, SER289, HIS323, ILE326 and 11 more
  • 4A79 · Crystal structure of human monoamine oxidase B (mao B) in complex with pioglitazone · P1B A601 · binds TYR60, PRO102, PHE103, PRO104, TRP119, LEU164, PHE168, LEU171 and 10 more
  • 7M26 · Human carbonic anhydrase II in complex with pioglitazone · P1B A302 · binds GLN92, HIS94, HIS96, GLU106, HIS119, PHE131, GLY132, VAL135 and 7 more

Residues it binds most

ILE 8, LEU 10, PHE 10, TYR 6, HIS 6, PRO 6, MET 4, CYS 8, GLN 8, GLY 6 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • ZN · Zinc ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol

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